4-bromanyl-2-ethyl-N-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-2-ethyl-N-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide Openeye Name: 4-bromo-2-ethyl-N-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide CAS Name: 4-bromo-2-ethyl-N-[(3-hydroxyphenyl)methyl]-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzenesulfonamide IUPAC Name: 4-bromo-2-ethyl-N-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide Traditional Name: 4-bromo-2-ethyl-N-(3-hydroxybenzyl)-N-[4-(2-pyrrolidinoethoxy)phenyl]benzenesulfonamide Formula: C27H31BrN2O4S MolecularWeight: 559.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N(CC2=CC(=CC=C2)O)C3=CC=C(C=C3)OCCN4CCCC4

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N(CC2=CC(=CC=C2)O)C3=CC=C(C=C3)OCCN4CCCC4

InChI

InChI=1S/C27H31BrN2O4S/c1-2-22-19-23(28)8-13-27(22)35(32,33)30(20-21-6-5-7-25(31)18-21)24-9-11-26(12-10-24)34-17-16-29-14-3-4-15-29/h5-13,18-19,31H,2-4,14-17,20H2,1H3